Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168558
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cc(Cl)cc(c1)Cl)C)CC1CCCO1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H26Cl2N2O4 MW 489.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Cl2N2O4/c1-14-8-17(15(2)29(14)20-11-18(26)10-19(27)12-20)9-22-23(25(31)32-4)16(3)28(24(22)30)13-21-6-5-7-33-21/h8-12,21H,5-7,13H2,1-4H3/b22-9-InChIKey
BERIUEHOSDSMCL-AFPJDJCSSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C=C3C(=C(N(C3=O)CC4CCCO4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cc(Cl)cc(c1)Cl)C)CC1CCCO1
InChI=1SC25H26Cl2N2O4c114817(15(2)29(14)201118(26)1019(27)1220)92223(25(31)324)16(3)28(24(22)30)13216573321h81221H5713H214H3b229
METHYL(4Z)4((1(35DICHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(35DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
MFCD02951782
ZINC000014010574
ZINC000014010577
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